4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Formula: C18H25ClN6O2S2 MolecularWeight: 457.0131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N)Cl)C

InChI

InChI=1S/C18H25ClN6O2S2/c1-13-16(17(19)23(2)22-13)12-24-8-3-9-25(11-10-24)18(28)21-14-4-6-15(7-5-14)29(20,26)27/h4-7H,3,8-12H2,1-2H3,(H,21,28)(H2,20,26,27)